S-hexyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate

Systemtic Name: S-hexyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate Openeye Name: S-hexyl (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-6-propoxy-4-pyridazinylidene)carbamothioic acid S-hexyl ester IUPAC Name: S-hexyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)thiocarbamic acid S-hexyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)N=C1C=C(N(N=C1)C2=CC=CC=C2)OCCC

Isomeric SMILES

CCCCCCSC(=O)/N=C/1\C=C(N(N=C1)C2=CC=CC=C2)OCCC

InChI

InChI=1S/C20H27N3O2S/c1-3-5-6-10-14-26-20(24)22-17-15-19(25-13-4-2)23(21-16-17)18-11-8-7-9-12-18/h7-9,11-12,15-16H,3-6,10,13-14H2,1-2H3/b22-17+